Vitas-M small molecule compound

4-methoxyphenyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK257951
SMILES COc1ccc(cc1)OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2CC1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C23H21NO5 MW 391.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO5/c1-28-17-7-9-18(10-8-17)29-23(27)15-3-2-4-16(12-15)24-21(25)19-13-5-6-14(11-13)20(19)22(24)26/h2-4,7-10,12-14,19-20H,5-6,11H2,1H3
InChIKey
DLMPKKJYEOUURA-UHFFFAOYSA-N
Synonyms

4methoxyphenyl3(13dioxooctahydro2H47methanoisoindol2yl)benzoate
COC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O
InChI=1SC23H21NO5c128177918(10817)2923(27)1532416(1215)2421(25)19135614(1113)20(19)22(24)26h2471012141920H5611H21H3
MFCD03577269
ZINC000102549881
ZINC000102625534

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.